butan-1-olate; 3-oxidanylidenebutanoate; zirconium(4+)

Systemtic Name: butan-1-olate; 3-oxidanylidenebutanoate; zirconium(4+) Openeye Name: butan-1-olate; 3-oxobutanoate; zirconium(4+) CAS Name: 1-butanolate; 3-oxobutanoate; zirconium(4+) IUPAC Name: butan-1-olate; 3-oxobutanoate; zirconium(4+) Traditional Name: acetoacetate; butan-1-olate; zirconium(4+) Formula: C12H23O5Zr+ MolecularWeight: 338.53202

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[O-].CCCC[O-].CC(=O)CC(=O)[O-].[Zr+4]

Isomeric SMILES

CCCC[O-].CCCC[O-].CC(=O)CC(=O)[O-].[Zr+4]

InChI

InChI=1S/C4H6O3.2C4H9O.Zr/c1-3(5)2-4(6)7;2*1-2-3-4-5;/h2H2,1H3,(H,6,7);2*2-4H2,1H3;/q;2*-1;+4/p-1